1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one

C16H16FNO2 — CID 143032601

IUPAC1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(-c2ncccc2O)cc1F
InChIInChI=1S/C16H16FNO2/c1-2-3-5-14(19)12-8-7-11(10-13(12)17)16-15(20)6-4-9-18-16/h4,6-10,20H,2-3,5H2,1H3
InChIKeySIXULDMQNRGNEH-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.97
Rot. Bonds5

About 1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one

1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one (PubChem CID 143032601) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one
PubChem CID143032601
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(-c2ncccc2O)cc1F
InChIInChI=1S/C16H16FNO2/c1-2-3-5-14(19)12-8-7-11(10-13(12)17)16-15(20)6-4-9-18-16/h4,6-10,20H,2-3,5H2,1H3
InChIKeySIXULDMQNRGNEH-UHFFFAOYSA-N
XLogP3.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
1-(3-hydroxy-2-pyridinyl)nonan-1-one
CID 137395419
1-(2-fluoro-4-methylphenyl)octan-1-one
CID 114966540
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
1-(5-chloro-2-fluorophenyl)pentan-1-one
CID 83988319
2-(4-fluorophenyl)pyridin-3-ol
CID 22724568
2-(3-propylphenyl)pyridin-3-ol
CID 116546530
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 11381243
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
CID 53218200
2-(3-butyl-4-fluorophenyl)-3-methylpyridine
CID 140726876
1-(2-fluoro-4-methylphenyl)butan-1-one
CID 83957348

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one?
The IUPAC name of 1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one (CID 143032601) is 1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one?
The canonical SMILES for 1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one is CCCCC(=O)c1ccc(-c2ncccc2O)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one?
The InChIKey is SIXULDMQNRGNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-3-5-14(19)12-8-7-11(10-13(12)17)16-15(20)6-4-9-18-16/h4,6-10,20H,2-3,5H2,1H3.
What are the key properties of 1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one?
1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one has a molecular weight of 273.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one is sourced from PubChem (CID 143032601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).